2-[4-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[oxo-[1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinyl]methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[1-[(E)-3-phenylacryloyl]isonipecotoyl]piperazino]sulfonylbenzonitrile Formula: C26H28N4O4S MolecularWeight: 492.58992

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C26H28N4O4S/c27-20-23-8-4-5-9-24(23)35(33,34)30-18-16-29(17-19-30)26(32)22-12-14-28(15-13-22)25(31)11-10-21-6-2-1-3-7-21/h1-11,22H,12-19H2/b11-10+